ethyl 3-[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoylamino]benzoate

Systemtic Name: ethyl 3-[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]ethanoylamino]benzoate Openeye Name: ethyl 3-[[2-[(4,5-dimethoxy-2-methyl-phenyl)methylsulfanyl]acetyl]amino]benzoate CAS Name: 3-[[2-[(4,5-dimethoxy-2-methylphenyl)methylthio]-1-oxoethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[2-[(4,5-dimethoxy-2-methylphenyl)methylsulfanyl]acetyl]amino]benzoate Traditional Name: 3-[[2-[(4,5-dimethoxy-2-methyl-benzyl)thio]acetyl]amino]benzoic acid ethyl ester Formula: C21H25NO5S MolecularWeight: 403.4919

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSCC2=CC(=C(C=C2C)OC)OC

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC(=O)CSCC2=CC(=C(C=C2C)OC)OC

InChI

InChI=1S/C21H25NO5S/c1-5-27-21(24)15-7-6-8-17(10-15)22-20(23)13-28-12-16-11-19(26-4)18(25-3)9-14(16)2/h6-11H,5,12-13H2,1-4H3,(H,22,23)